| Entry |
|
|---|
| Name |
Apitolisib (USAN/INN) |
|---|
| Formula |
C23H30N8O3S
|
|---|
| Exact mass |
498.2162
|
|---|
| Mol weight |
498.60
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D10543 Apitolisib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D10543 Apitolisib (USAN/INN)
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D10543 Apitolisib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 N5x N 14.2100 -18.6200
2 C8y C 14.2100 -20.0200
3 N5x N 15.4000 -20.7200
4 C8x C 16.5900 -20.0200
5 C8y C 16.5900 -18.6200
6 C8x C 15.4000 -17.9900
7 C8y C 17.8500 -17.9200
8 N5x N 19.0400 -18.6200
9 C8y C 20.2300 -17.9200
10 C8y C 20.2300 -16.5200
11 C8y C 19.0400 -15.8200
12 N5x N 17.8500 -16.5200
13 C8y C 21.5600 -18.3400
14 C8y C 22.4000 -17.2200
15 S2x S 21.5600 -16.1000
16 N1y N 19.0400 -14.4900
17 C1x C 20.3000 -13.7200
18 C1x C 20.3000 -12.3200
19 O2x O 19.1100 -11.6200
20 C1x C 17.8500 -12.3900
21 C1x C 17.8500 -13.7900
22 C1b C 23.8700 -17.2200
23 N1y N 24.5000 -16.0300
24 C1x C 25.9700 -16.0300
25 C1x C 26.6700 -14.8400
26 N1y N 25.9700 -13.6500
27 C1x C 24.5000 -13.6500
28 C1x C 23.8000 -14.8400
29 C1a C 21.9880 -19.6730
30 N1a N 12.9947 -20.7151
31 C5a C 26.6651 -12.4347
32 C1c C 28.0697 -12.4289
33 O5a O 25.9722 -11.2463
34 C1a C 28.7885 -13.6616
35 O1a O 28.7514 -11.2370
BOND 39
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 10 15 1
18 11 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 14 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 13 29 1
34 2 30 1
35 26 31 1
36 31 32 1
37 31 33 2
38 32 34 1 #Up
39 32 35 1
|
|---|
